# electronic Ligand Builder and Optimisation Workbench (eLBOW)
#   - a module of PHENIX version dev-svn-
#   - file written: Mon May 18 22:43:11 2020
#   Inital geometry file: a 150 line input string
#   Ligand name: 3-benzyl-4-({[6-(cyclohexylmethyl)pyridin-2-yl]carbonyl}amino)benzoic acid
#   Quantum optimisation: True
#   Method: PBEh-3c
#   Random seed: 3628800
#   SMILES string: OC(=O)c1ccc(NC(=O)c2cccc(CC3CCCCC3)n2)c(Cc4ccccc4)c1
#
data_comp_list
loop_
_chem_comp.id
_chem_comp.three_letter_code
_chem_comp.name
_chem_comp.group
_chem_comp.number_atoms_all
_chem_comp.number_atoms_nh
_chem_comp.desc_level
_chem_comp.initial_date
_chem_comp.modified_date
_chem_comp.source
 NJQ  NJQ  '3-benzyl-4-({[6-(cyclohexylmethyl)pyridin-2-yl]carbonyl}amino)benzoic acid'  ligand  60  32  .  2021-08-15  2021-08-15  
;
Directly from eLBOW using geometry from QM method PBEh-3c with CPCM solvent model
Validated by Mogul as PERFECT
;

data_comp_NJQ
loop_
_chem_comp_atom.comp_id
_chem_comp_atom.atom_id
_chem_comp_atom.type_symbol
_chem_comp_atom.type_energy
_chem_comp_atom.charge
_chem_comp_atom.partial_charge
_chem_comp_atom.x
_chem_comp_atom.y
_chem_comp_atom.z
 NJQ  C1    C  CH2   0  -0.607  -3.3921   1.4562   0.7879
 NJQ  C2    C  CR6   0   0.137  -3.5682  -0.0383   0.8905
 NJQ  C3    C  CR16  0  -0.351  -4.7789  -0.6299   0.5678
 NJQ  C4    C  CR6   0  -0.069  -4.9554  -2.0107   0.6209
 NJQ  C5    C  CR16  0  -0.286  -3.8916  -2.8175   1.0156
 NJQ  C6    C  CR16  0  -0.260  -2.6783  -2.2458   1.3538
 NJQ  C7    C  CR6   0   0.304  -2.5119  -0.8669   1.2944
 NJQ  N8    N  NH1   0  -0.748  -1.2823  -0.2820   1.6272
 NJQ  C9    C  C     0   0.535  -6.2782  -2.5649   0.2494
 NJQ  O10   O  O     0  -0.440  -7.2271  -1.8872  -0.0680
 NJQ  O11   O  OH1   0  -0.595  -6.3178  -3.8894   0.2981
 NJQ  C15   C  CR6   0   0.120  -2.2491   1.8730  -0.1100
 NJQ  C18   C  CR16  0  -0.255  -0.0954   2.6108  -1.7358
 NJQ  C19   C  CR16  0  -0.224  -0.2463   3.1789  -0.4798
 NJQ  C20   C  CR16  0  -0.333  -1.3173   2.8119   0.3237
 NJQ  C21   C  CR16  0  -0.279  -2.0931   1.3141  -1.3757
 NJQ  C22   C  CR16  0  -0.239  -1.0250   1.6805  -2.1825
 NJQ  C28   C  C     0   0.508  -0.1142  -0.5975   0.9974
 NJQ  O29   O  O     0  -0.438   0.0112  -1.5463   0.2540
 NJQ  C30   C  CR6   0   0.114   1.0181   0.3462   1.2788
 NJQ  C32   C  CR16  0  -0.323   1.1582   0.9994   2.4947
 NJQ  C33   C  CR16  0  -0.144   2.2436   1.8503   2.6514
 NJQ  C34   C  CR16  0  -0.328   3.1237   2.0116   1.5987
 NJQ  C35   C  CR6   0   0.257   2.9057   1.3061   0.4128
 NJQ  N36   N  N     0  -0.410   1.8716   0.4875   0.2739
 NJQ  C37   C  CH2   0  -0.495   3.8679   1.4210  -0.7315
 NJQ  C41   C  CH1   0  -0.229   4.9739   0.3561  -0.6917
 NJQ  C44   C  CH2   0  -0.417   6.0882   0.7037  -1.6798
 NJQ  C45   C  CH2   0  -0.415   4.4412  -1.0480  -0.9774
 NJQ  C47   C  CH2   0  -0.429   6.6689  -1.7357  -1.9360
 NJQ  C48   C  CH2   0  -0.429   5.5541  -2.0906  -0.9581
 NJQ  C57   C  CH2   0  -0.432   7.2057  -0.3341  -1.6655
 NJQ  H1    H  HCH2  0   0.287  -4.3263   1.8898   0.4231
 NJQ  H1A   H  HCH2  0   0.275  -3.2397   1.8857   1.7835
 NJQ  H3    H  HCR6  0   0.263  -5.6002   0.0001   0.2500
 NJQ  H5    H  HCR6  0   0.270  -3.9962  -3.8917   1.0737
 NJQ  H6    H  HCR6  0   0.273  -1.8658  -2.8756   1.6869
 NJQ  HN8   H  HNH1  0   0.418  -1.3265   0.6247   2.0670
 NJQ  HO11  H  HOH1  0   0.488  -7.1983  -4.2034   0.0447
 NJQ  H18   H  HCR6  0   0.247   0.7443   2.8854  -2.3613
 NJQ  H19   H  HCR6  0   0.249   0.4769   3.8972  -0.1162
 NJQ  H20   H  HCR6  0   0.252  -1.4208   3.2467   1.3116
 NJQ  H21   H  HCR6  0   0.246  -2.8040   0.5776  -1.7327
 NJQ  H22   H  HCR6  0   0.252  -0.9144   1.2328  -3.1619
 NJQ  H32   H  HCR6  0   0.278   0.4626   0.8446   3.3088
 NJQ  H33   H  HCR6  0   0.275   2.3960   2.3766   3.5844
 NJQ  H34   H  HCR6  0   0.267   3.9766   2.6721   1.6865
 NJQ  H37   H  HCH2  0   0.239   3.3186   1.3420  -1.6739
 NJQ  H37A  H  HCH2  0   0.244   4.3315   2.4110  -0.7102
 NJQ  H41   H  HCH1  0   0.217   5.4104   0.3598   0.3171
 NJQ  H44   H  HCH2  0   0.207   5.6617   0.7678  -2.6884
 NJQ  H44A  H  HCH2  0   0.225   6.4913   1.6943  -1.4501
 NJQ  H45   H  HCH2  0   0.236   3.6605  -1.3171  -0.2632
 NJQ  H45A  H  HCH2  0   0.201   3.9625  -1.0433  -1.9646
 NJQ  H47   H  HCH2  0   0.225   7.4764  -2.4696  -1.8755
 NJQ  H47A  H  HCH2  0   0.206   6.2809  -1.7836  -2.9595
 NJQ  H48   H  HCH2  0   0.207   5.9695  -2.1581   0.0536
 NJQ  H48A  H  HCH2  0   0.224   5.1455  -3.0774  -1.1899
 NJQ  H57   H  HCH2  0   0.225   7.9709  -0.0718  -2.4004
 NJQ  H57A  H  HCH2  0   0.208   7.6990  -0.3197  -0.6870

loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
_chem_comp_bond.value_dist_neutron
 NJQ  C1   C2    single    1.508  0.020  1.508
 NJQ  C1   C15   single    1.512  0.020  1.512
 NJQ  C1   H1    single    0.970  0.020  1.090
 NJQ  C1   H1A   single    0.970  0.020  1.090
 NJQ  C3   C2    aromatic  1.386  0.020  1.386
 NJQ  C2   C7    aromatic  1.402  0.020  1.402
 NJQ  C3   C4    aromatic  1.393  0.020  1.393
 NJQ  C3   H3    single    0.930  0.020  1.080
 NJQ  C4   C9    single    1.481  0.020  1.481
 NJQ  C4   C5    aromatic  1.392  0.020  1.392
 NJQ  C5   C6    aromatic  1.383  0.020  1.383
 NJQ  C5   H5    single    0.930  0.020  1.080
 NJQ  C7   C6    aromatic  1.390  0.020  1.390
 NJQ  C6   H6    single    0.930  0.020  1.080
 NJQ  C7   N8    single    1.402  0.020  1.402
 NJQ  N8   C28   single    1.364  0.020  1.364
 NJQ  N8   HN8   single    0.890  0.020  1.040
 NJQ  O10  C9    double    1.208  0.020  1.208
 NJQ  C9   O11   single    1.326  0.020  1.326
 NJQ  O11  HO11  single    0.850  0.020  0.980
 NJQ  C20  C15   aromatic  1.392  0.020  1.392
 NJQ  C15  C21   aromatic  1.392  0.020  1.392
 NJQ  C19  C18   aromatic  1.387  0.020  1.387
 NJQ  C18  C22   aromatic  1.389  0.020  1.389
 NJQ  C18  H18   single    0.930  0.020  1.080
 NJQ  C20  C19   aromatic  1.388  0.020  1.388
 NJQ  C19  H19   single    0.930  0.020  1.080
 NJQ  C20  H20   single    0.930  0.020  1.080
 NJQ  C21  C22   aromatic  1.388  0.020  1.388
 NJQ  C21  H21   single    0.930  0.020  1.080
 NJQ  C22  H22   single    0.930  0.020  1.080
 NJQ  C28  C30   single    1.501  0.020  1.501
 NJQ  C28  O29   double    1.212  0.020  1.212
 NJQ  N36  C30   aromatic  1.326  0.020  1.326
 NJQ  C30  C32   aromatic  1.387  0.020  1.387
 NJQ  C32  C33   aromatic  1.388  0.020  1.388
 NJQ  C32  H32   single    0.930  0.020  1.080
 NJQ  C34  C33   aromatic  1.382  0.020  1.382
 NJQ  C33  H33   single    0.930  0.020  1.080
 NJQ  C35  C34   aromatic  1.397  0.020  1.397
 NJQ  C34  H34   single    0.930  0.020  1.080
 NJQ  C37  C35   single    1.499  0.020  1.499
 NJQ  N36  C35   aromatic  1.326  0.020  1.326
 NJQ  C41  C37   single    1.536  0.020  1.536
 NJQ  C37  H37   single    0.970  0.020  1.090
 NJQ  C37  H37A  single    0.970  0.020  1.090
 NJQ  C45  C41   single    1.529  0.020  1.529
 NJQ  C41  C44   single    1.529  0.020  1.529
 NJQ  C41  H41   single    0.970  0.020  1.090
 NJQ  C57  C44   single    1.525  0.020  1.525
 NJQ  C44  H44   single    0.970  0.020  1.090
 NJQ  C44  H44A  single    0.970  0.020  1.090
 NJQ  C48  C45   single    1.525  0.020  1.525
 NJQ  C45  H45   single    0.970  0.020  1.090
 NJQ  C45  H45A  single    0.970  0.020  1.090
 NJQ  C47  C48   single    1.525  0.020  1.525
 NJQ  C47  C57   single    1.525  0.020  1.525
 NJQ  C47  H47   single    0.970  0.020  1.090
 NJQ  C47  H47A  single    0.970  0.020  1.090
 NJQ  C48  H48   single    0.970  0.020  1.090
 NJQ  C48  H48A  single    0.970  0.020  1.090
 NJQ  C57  H57   single    0.970  0.020  1.090
 NJQ  C57  H57A  single    0.970  0.020  1.090

loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
 NJQ  H1A   C1   H1   105.48  3.000
 NJQ  H1A   C1   C15  109.06  3.000
 NJQ  H1    C1   C15  109.80  3.000
 NJQ  H1A   C1   C2   110.06  3.000
 NJQ  H1    C1   C2   108.43  3.000
 NJQ  C15   C1   C2   113.69  3.000
 NJQ  C7    C2   C3   118.24  3.000
 NJQ  C7    C2   C1   121.15  3.000
 NJQ  C3    C2   C1   120.61  3.000
 NJQ  H3    C3   C4   119.45  3.000
 NJQ  H3    C3   C2   118.87  3.000
 NJQ  C4    C3   C2   121.67  3.000
 NJQ  C9    C4   C5   122.45  3.000
 NJQ  C5    C4   C3   119.23  3.000
 NJQ  C9    C4   C3   118.32  3.000
 NJQ  H5    C5   C6   118.85  3.000
 NJQ  H5    C5   C4   121.15  3.000
 NJQ  C6    C5   C4   120.00  3.000
 NJQ  H6    C6   C7   120.09  3.000
 NJQ  H6    C6   C5   119.60  3.000
 NJQ  C7    C6   C5   120.29  3.000
 NJQ  N8    C7   C6   120.58  3.000
 NJQ  N8    C7   C2   118.87  3.000
 NJQ  C6    C7   C2   120.56  3.000
 NJQ  HN8   N8   C28  116.54  3.000
 NJQ  HN8   N8   C7   116.11  3.000
 NJQ  C28   N8   C7   123.03  3.000
 NJQ  O11   C9   O10  123.11  3.000
 NJQ  O11   C9   C4   113.02  3.000
 NJQ  O10   C9   C4   123.86  3.000
 NJQ  HO11  O11  C9   109.96  3.000
 NJQ  C21   C15  C20  118.62  3.000
 NJQ  C21   C15  C1   120.91  3.000
 NJQ  C20   C15  C1   120.46  3.000
 NJQ  H18   C18  C22  120.22  3.000
 NJQ  H18   C18  C19  120.25  3.000
 NJQ  C22   C18  C19  119.52  3.000
 NJQ  H19   C19  C20  119.77  3.000
 NJQ  H19   C19  C18  120.23  3.000
 NJQ  C20   C19  C18  119.99  3.000
 NJQ  H20   C20  C19  119.67  3.000
 NJQ  H20   C20  C15  119.37  3.000
 NJQ  C19   C20  C15  120.95  3.000
 NJQ  H21   C21  C22  119.52  3.000
 NJQ  H21   C21  C15  119.91  3.000
 NJQ  C22   C21  C15  120.57  3.000
 NJQ  H22   C22  C21  119.69  3.000
 NJQ  H22   C22  C18  119.97  3.000
 NJQ  C21   C22  C18  120.34  3.000
 NJQ  C30   C28  O29  121.96  3.000
 NJQ  O29   C28  N8   123.57  3.000
 NJQ  C30   C28  N8   114.46  3.000
 NJQ  N36   C30  C32  123.30  3.000
 NJQ  C32   C30  C28  122.45  3.000
 NJQ  N36   C30  C28  114.24  3.000
 NJQ  H32   C32  C33  120.37  3.000
 NJQ  H32   C32  C30  121.81  3.000
 NJQ  C33   C32  C30  117.81  3.000
 NJQ  H33   C33  C34  120.70  3.000
 NJQ  H33   C33  C32  120.38  3.000
 NJQ  C34   C33  C32  118.92  3.000
 NJQ  H34   C34  C35  120.00  3.000
 NJQ  H34   C34  C33  120.76  3.000
 NJQ  C35   C34  C33  119.24  3.000
 NJQ  C37   C35  N36  117.89  3.000
 NJQ  N36   C35  C34  121.48  3.000
 NJQ  C37   C35  C34  120.60  3.000
 NJQ  C35   N36  C30  119.23  3.000
 NJQ  H37A  C37  H37  107.16  3.000
 NJQ  H37A  C37  C41  108.78  3.000
 NJQ  H37   C37  C41  109.52  3.000
 NJQ  H37A  C37  C35  109.06  3.000
 NJQ  H37   C37  C35  109.25  3.000
 NJQ  C41   C37  C35  112.90  3.000
 NJQ  H41   C41  C45  108.24  3.000
 NJQ  H41   C41  C44  107.63  3.000
 NJQ  C45   C41  C44  109.99  3.000
 NJQ  H41   C41  C37  107.91  3.000
 NJQ  C44   C41  C37  110.51  3.000
 NJQ  C45   C41  C37  112.40  3.000
 NJQ  H44A  C44  H44  106.46  3.000
 NJQ  H44A  C44  C57  110.13  3.000
 NJQ  H44   C44  C57  109.47  3.000
 NJQ  H44A  C44  C41  109.80  3.000
 NJQ  H44   C44  C41  108.91  3.000
 NJQ  C57   C44  C41  111.91  3.000
 NJQ  H45A  C45  H45  106.12  3.000
 NJQ  H45A  C45  C48  109.44  3.000
 NJQ  H45   C45  C48  110.19  3.000
 NJQ  H45A  C45  C41  108.44  3.000
 NJQ  H45   C45  C41  110.69  3.000
 NJQ  C48   C45  C41  111.80  3.000
 NJQ  H47A  C47  H47  106.50  3.000
 NJQ  H47A  C47  C57  109.30  3.000
 NJQ  H47   C47  C57  110.32  3.000
 NJQ  H47A  C47  C48  109.27  3.000
 NJQ  H47   C47  C48  110.39  3.000
 NJQ  C57   C47  C48  110.95  3.000
 NJQ  H48A  C48  H48  106.38  3.000
 NJQ  H48A  C48  C47  110.33  3.000
 NJQ  H48   C48  C47  109.23  3.000
 NJQ  H48A  C48  C45  109.98  3.000
 NJQ  H48   C48  C45  109.29  3.000
 NJQ  C47   C48  C45  111.48  3.000
 NJQ  H57A  C57  H57  106.39  3.000
 NJQ  H57A  C57  C47  109.20  3.000
 NJQ  H57   C57  C47  110.35  3.000
 NJQ  H57A  C57  C44  109.22  3.000
 NJQ  H57   C57  C44  110.08  3.000
 NJQ  C47   C57  C44  111.46  3.000

loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
 NJQ  CONST_01  C5    C4   C3   C2      0.00   0.0  0
 NJQ  CONST_02  C5    C6   C7   C2      0.00   0.0  0
 NJQ  CONST_03  C6    C7   C2   C3      0.00   0.0  0
 NJQ  CONST_04  C6    C5   C4   C3      0.00   0.0  0
 NJQ  CONST_05  C7    C2   C3   C4      0.00   0.0  0
 NJQ  CONST_06  C7    C6   C5   C4      0.00   0.0  0
 NJQ  CONST_07  C18   C19  C20  C15     0.00   0.0  0
 NJQ  CONST_08  C18   C22  C21  C15     0.00   0.0  0
 NJQ  CONST_09  C21   C22  C18  C19     0.00   0.0  0
 NJQ  CONST_10  C21   C15  C20  C19     0.00   0.0  0
 NJQ  CONST_11  C22   C21  C15  C20     0.00   0.0  0
 NJQ  CONST_12  C22   C18  C19  C20     0.00   0.0  0
 NJQ  CONST_13  C34   C35  N36  C30     0.00   0.0  0
 NJQ  CONST_14  C34   C33  C32  C30     0.00   0.0  0
 NJQ  CONST_15  C35   N36  C30  C32     0.00   0.0  0
 NJQ  CONST_16  C35   C34  C33  C32     0.00   0.0  0
 NJQ  CONST_17  N36   C30  C32  C33     0.00   0.0  0
 NJQ  CONST_18  N36   C35  C34  C33     0.00   0.0  0
 NJQ  CONST_19  C4    C3   C2   C1    180.00   0.0  0
 NJQ  CONST_20  C6    C7   C2   C1    180.00   0.0  0
 NJQ  CONST_21  C19   C20  C15  C1    180.00   0.0  0
 NJQ  CONST_22  C22   C21  C15  C1    180.00   0.0  0
 NJQ  CONST_23  C9    C4   C3   C2    180.00   0.0  0
 NJQ  CONST_24  N8    C7   C2   C3    180.00   0.0  0
 NJQ  CONST_25  N8    C7   C6   C5    180.00   0.0  0
 NJQ  CONST_26  C9    C4   C5   C6    180.00   0.0  0
 NJQ  CONST_27  C35   N36  C30  C28   180.00   0.0  0
 NJQ  CONST_28  C33   C32  C30  C28   180.00   0.0  0
 NJQ  CONST_29  C37   C35  N36  C30   180.00   0.0  0
 NJQ  CONST_30  C37   C35  C34  C33   180.00   0.0  0
 NJQ  CONST_31  H6    C6   C7   C2    180.00   0.0  0
 NJQ  CONST_32  H5    C5   C4   C3    180.00   0.0  0
 NJQ  CONST_33  H3    C3   C4   C5    180.00   0.0  0
 NJQ  CONST_34  H19   C19  C20  C15   180.00   0.0  0
 NJQ  CONST_35  H22   C22  C21  C15   180.00   0.0  0
 NJQ  CONST_36  H20   C20  C19  C18   180.00   0.0  0
 NJQ  CONST_37  H21   C21  C22  C18   180.00   0.0  0
 NJQ  CONST_38  H18   C18  C19  C20   180.00   0.0  0
 NJQ  CONST_39  H33   C33  C32  C30   180.00   0.0  0
 NJQ  CONST_40  H34   C34  C33  C32   180.00   0.0  0
 NJQ  CONST_41  H32   C32  C33  C34   180.00   0.0  0
 NJQ  CONST_42  C30   C28  N8   C7    180.00   0.0  0
 NJQ  CONST_46  O29   C28  N8   C7      0.00   0.0  0
 NJQ  CONST_47  HO11  O11  C9   C4    180.00   0.0  0
 NJQ  Var_01    C47   C48  C45  C41   -55.88  30.0  1
 NJQ  Var_02    C47   C57  C44  C41    55.64  30.0  1
 NJQ  Var_03    C48   C47  C57  C44   -54.71  30.0  1
 NJQ  Var_04    C57   C47  C48  C45    54.87  30.0  1
 NJQ  Var_05    C20   C15  C1   C2   -131.35  30.0  2
 NJQ  Var_06    C15   C1   C2   C3   -123.53  30.0  2
 NJQ  Var_07    C41   C37  C35  C34    91.28  30.0  2
 NJQ  Var_08    O10   C9   C4   C3     -1.83  30.0  2
 NJQ  Var_09    N36   C30  C28  N8   -148.34  30.0  2

loop_
_chem_comp_chir.comp_id
_chem_comp_chir.id
_chem_comp_chir.atom_id_centre
_chem_comp_chir.atom_id_1
_chem_comp_chir.atom_id_2
_chem_comp_chir.atom_id_3
_chem_comp_chir.volume_sign
 NJQ  chir_01  C41  C37  C45  C44  negativ

loop_
_chem_comp_plane_atom.comp_id
_chem_comp_plane_atom.plane_id
_chem_comp_plane_atom.atom_id
_chem_comp_plane_atom.dist_esd
 NJQ  plan-1  C1    0.020
 NJQ  plan-1  C2    0.020
 NJQ  plan-1  C3    0.020
 NJQ  plan-1  C4    0.020
 NJQ  plan-1  C5    0.020
 NJQ  plan-1  C6    0.020
 NJQ  plan-1  C7    0.020
 NJQ  plan-1  N8    0.020
 NJQ  plan-1  C9    0.020
 NJQ  plan-1  H3    0.020
 NJQ  plan-1  H5    0.020
 NJQ  plan-1  H6    0.020
 NJQ  plan-2  C1    0.020
 NJQ  plan-2  C15   0.020
 NJQ  plan-2  C18   0.020
 NJQ  plan-2  C19   0.020
 NJQ  plan-2  C20   0.020
 NJQ  plan-2  C21   0.020
 NJQ  plan-2  C22   0.020
 NJQ  plan-2  H18   0.020
 NJQ  plan-2  H19   0.020
 NJQ  plan-2  H20   0.020
 NJQ  plan-2  H21   0.020
 NJQ  plan-2  H22   0.020
 NJQ  plan-3  C28   0.020
 NJQ  plan-3  C30   0.020
 NJQ  plan-3  C32   0.020
 NJQ  plan-3  C33   0.020
 NJQ  plan-3  C34   0.020
 NJQ  plan-3  C35   0.020
 NJQ  plan-3  N36   0.020
 NJQ  plan-3  C37   0.020
 NJQ  plan-3  H32   0.020
 NJQ  plan-3  H33   0.020
 NJQ  plan-3  H34   0.020
 NJQ  plan-4  C7    0.020
 NJQ  plan-4  N8    0.020
 NJQ  plan-4  C28   0.020
 NJQ  plan-4  O29   0.020
 NJQ  plan-4  C30   0.020
 NJQ  plan-4  HN8   0.020
 NJQ  plan-5  C4    0.020
 NJQ  plan-5  C9    0.020
 NJQ  plan-5  O10   0.020
 NJQ  plan-5  O11   0.020
 NJQ  plan-5  HO11  0.020

